SCHEMBL6461007

SCHEMBL6461007

COc1cc(CNCC2CCC(Nc3nc4c(c(N(C)C)n3)CCCC4)CC2)cc(I)c1O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.38
ADRA2A P08913 3/20 0.38
NPY5R Q15761 1/20 0.38
TRPV1 Q8NER1 2/20 0.36
EHMT2 Q96KQ7 1/20 0.35
BCHE P06276 2/20 0.34
ACHE P22303 2/20 0.34
APP P05067 1/20 0.34
ADRA1A P35348 2/20 0.34
HTR2B P41595 2/20 0.34
HRH1 P35367 1/20 0.34
HTR1A P08908 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6460998 1.00 MCHR1 (0.38) MCHR1ADRA2ANPY5RTRPV1EHMT2
SCHEMBL6876906 0.94 MCHR1 (0.41) MCHR1ADRA2ANPY5REHMT2BCHE
SCHEMBL6876919 0.94 MCHR1 (0.41) MCHR1ADRA2ANPY5REHMT2BCHE
SCHEMBL6463460 0.91 MCHR1 (0.41) MCHR1ADRA2ANPY5REHMT2BCHE
SCHEMBL6463472 0.91 MCHR1 (0.41) MCHR1ADRA2ANPY5REHMT2BCHE
SCHEMBL6463374 0.91 TRPV1 (0.38) MCHR1ADRA2ATRPV1EHMT2BCHE
SCHEMBL6875645 0.91 TRPV1 (0.38) MCHR1ADRA2ATRPV1EHMT2BCHE
SCHEMBL6877060 0.89 MCHR1 (0.41) MCHR1ADRA2ANPY5REHMT2BCHE
SCHEMBL6877050 0.89 MCHR1 (0.41) MCHR1ADRA2ANPY5REHMT2BCHE
SCHEMBL6878189 0.87 BCHE (0.46) MCHR1ADRA2ANPY5RBCHEACHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP claimed
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof TAISHO PHARMACEUTICAL CO., LTD. 2005-09-08 US disclosed
WO-2004087669-A1 NOVEL QUINOLINE, TETRAHYDROQUINAZOLINE, AND PYRIMIDINE DERIVATIVES AND METHODS OF TREATMENT RELATED TO THE USE THEREOF TAISHO PHARMACEUTICAL CO. LTD. (JP) 2004-10-14 WO disclosed
EP-1464335-A2 Quinoline, tetrahydroquinoline and pyrimidine derivatives as mch antagonist Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-06 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050197350-A1 Novel quinoline, tetrahydroquinazoline, and pyrimidine derivatives and methods of treatment related to the use thereof HCRTR2, MCHR1, MCHR2 MCHR1 2/4885ADRA2A 117/4885NPY5R 8/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.